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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Jun-2019Mo-3-1atmArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Single point StructureRM066-31+G** GENECP-1824.75926830; Eh
thumbnail.jpeg24-Jun-2019Mo-9aArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-1940.46925366; Eh
thumbnail.jpeg27-Aug-2019Mo-ts-13-5Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G** GENECP-1941.61020650; Eh
thumbnail.jpeg27-Aug-2019Mo-14Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-2381.62157317; Eh
thumbnail.jpeg24-Jun-2019Mo-ts-6-7-alt1Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Single point StructureRM066-31+G** GENECP-2265.92826980; Eh
thumbnail.jpeg24-Jun-2019N-methylacetanilide-transArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GEN-439.965178533; Eh
thumbnail.jpeg24-Jun-2019N-methylformanilide-cisArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GEN-439.968611501; Eh
thumbnail.jpeg24-Jun-2019Mo-1aArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM066-31+G** GENECP-2123.28815542; Eh
thumbnail.jpeg24-Jun-2019H2Artus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GEN-1.16908755242; Eh
thumbnail.jpeg27-Aug-2019Mo-ts-12-13-LiArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-1786.86313790; Eh
Results 41-50 of 222 (Search time: 0.001 seconds).